3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole

C13H15F2N — CID 106986352

IUPAC3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)C(CC1CCC1)CN2
InChIInChI=1S/C13H15F2N/c14-10-5-11-9(4-8-2-1-3-8)7-16-13(11)12(15)6-10/h5-6,8-9,16H,1-4,7H2
InChIKeyAMKHYPJRZYULDV-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.66
Rot. Bonds2

About 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole

3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole (PubChem CID 106986352) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
PubChem CID106986352
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)C(CC1CCC1)CN2
InChIInChI=1S/C13H15F2N/c14-10-5-11-9(4-8-2-1-3-8)7-16-13(11)12(15)6-10/h5-6,8-9,16H,1-4,7H2
InChIKeyAMKHYPJRZYULDV-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986208
5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
CID 106985694
5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
CID 106986066
5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole
CID 106986418
3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 106986354
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
2-(9-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 83672660
5,7-difluoro-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3(8),4,6-triene
CID 115510185
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115510148

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole (CID 106986352) is 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole is Fc1cc(F)c2c(c1)C(CC1CCC1)CN2.
What is the InChIKey of 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The InChIKey is AMKHYPJRZYULDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c14-10-5-11-9(4-8-2-1-3-8)7-16-13(11)12(15)6-10/h5-6,8-9,16H,1-4,7H2.
What are the key properties of 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole?
3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole has a molecular weight of 223.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).